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1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea

1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea

Systemtic Name:1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea
Openeye Name:1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea
CAS Name:1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea
IUPAC Name:1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea
Traditional Name:1-ethyl-3-(6-nitro-7-phenyl-1,3-benzothiazol-2-yl)urea
Formula: C16H14N4O3S
MolecularWeight: 342.37236
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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3


Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3


InChI

InChI=1S/C16H14N4O3S/c1-2-17-15(21)19-16-18-11-8-9-12(20(22)23)13(14(11)24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18,19,21)


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